Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one

The title compound, C22H15Cl2NOS, contains 1,4-benzothiazine and 2,4-dichlorobenzylidene units, where the dihydrothiazine ring adopts a screw-boat conformation. In the crystal, intermolecular C—HBnz...OThz (Bnz = benzene and Thz = thiazine) hydrogen bonds form corrugated chains extending along the b...

Full description

Bibliographic Details
Main Authors: Nada Kheira Sebbar, Brahim Hni, Tuncer Hökelek, Mohamed Labd Taha, Joel T. Mague, Lhoussaine El Ghayati, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2019-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dihydrothiazine
hydrogen bond
π-stacking
hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019013586

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989019013586

Similar Items